1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide

C23H23N3O2 — CID 5459697

IUPAC1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3ccccc23)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-23(13-7-15-26(23)21(27)17-8-3-2-4-9-17)22(28)24-14-12-18-16-25-20-11-6-5-10-19(18)20/h2-11,13,16,25H,12,14-15H2,1H3,(H,24,28)
InChIKeyDFIKRBHTYMXJMN-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.30
Rot. Bonds5

About 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide

1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide (PubChem CID 5459697) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide
PubChem CID5459697
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3ccccc23)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-23(13-7-15-26(23)21(27)17-8-3-2-4-9-17)22(28)24-14-12-18-16-25-20-11-6-5-10-19(18)20/h2-11,13,16,25H,12,14-15H2,1H3,(H,24,28)
InChIKeyDFIKRBHTYMXJMN-UHFFFAOYSA-N
XLogP3.30
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
(E)-4-[2-(1H-indol-3-yl)ethylamino]-4-phenylbut-3-en-2-one
CID 11833647
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 2466291
1-N'-[2-(dimethylamino)ethyl]-1-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108973434
1-N-[2-(1H-indol-3-yl)ethyl]-1-N'-(3-methylbutyl)cyclopropane-1,1-dicarboxamide
CID 108978254
2-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
CID 108508463
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclobutane-1-carboxamide
CID 110438229
2-hydroxyimino-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
CID 6822271
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclohexene-1-carboxylic acid
CID 53270372
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 71885829

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide (CID 5459697) is 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide is CC1(C(=O)NCCc2c[nH]c3ccccc23)C=CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide?
The InChIKey is DFIKRBHTYMXJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-23(13-7-15-26(23)21(27)17-8-3-2-4-9-17)22(28)24-14-12-18-16-25-20-11-6-5-10-19(18)20/h2-11,13,16,25H,12,14-15H2,1H3,(H,24,28).
What are the key properties of 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide?
1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-5-methyl-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).